Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
An entropic functional is said if it satisfies, for any two probabilistically independent systems and , that S ( A + B ) = S ( A ) + S ( B ) [...].
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7515027 | PMC |
| http://dx.doi.org/10.3390/e21050538 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Massively Parallel Free Energy Calculations for Affinity Maturation of Designed Miniproteins.
J Chem Theory Comput
August 2025
Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States.
Computational protein design efforts continue to make remarkable advances, yet the discovery of high-affinity binders typically requires large-scale experimental screening of site-saturated mutant (SSM) libraries. Here, we explore how massively parallel free energy methods can be used for affinity maturation of designed binding proteins. Using an expanded ensemble (EE) approach, we perform exhaustive relative binding free energy calculations for SSM variants of three miniproteins designed to bind influenza A H1 hemagglutinin by Chevalier et al.
View Article and Find Full Text PDFA Study on the Fracture of Brittle Heterogeneous Materials Using Non-Extensive Statistical Mechanics and the Energy Distribution Function.
Materials (Basel)
January 2025
Laboratory for Testing and Materials, Department of Mechanics, School of Applied Mathematical and Physical Sciences, National Technical University of Athens, Zografou Campus, 157 73 Athens, Greece.
The fracture process of heterogeneous materials is studied here in the framework of the discipline of Non-Extensive Statistical Mechanics. Acoustic emission data provided by an experimental protocol with concrete specimens, plain or fiber-reinforced, under bending are taken advantage of. This innovation of the study lies in the fact that the analysis of the acoustic activity is implemented in terms of the energy content of the acoustic signals rather than of their interevent time or their interevent distance.
View Article and Find Full Text PDFNonadditive Entropies and Nonextensive Statistical Mechanics.
Entropy (Basel)
January 2025
Department of Physics, Faculty of Arts and Sciences, Izmir University of Economics, Izmir 35330, Turkey.
The centennial Boltzmann-Gibbs statistical mechanics [...
View Article and Find Full Text PDFLook Beyond Additivity and Extensivity of Entropy for Black Hole and Cosmological Horizons.
Entropy (Basel)
September 2024
Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland.
We present a comparative analysis of the plethora of nonextensive and/or nonadditive entropies which go beyond the standard Boltzmann-Gibbs formulation. After defining the basic notions of additivity, extensivity, and composability, we discuss the properties of these entropies and their mutual relations, if they exist. The results are presented in two informative tables that are of strong interest to the gravity and cosmology community in the context of the recently intensively explored horizon entropies for black hole and cosmological models.
View Article and Find Full Text PDFContrasting behavior of urea in strengthening and weakening confinement effects on polymer collapse.
J Chem Phys
October 2024
Department of Materials Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India.
Article Synopsis
- Biomolecules in living cells experience crowded environments due to high concentrations of cosolutes and macromolecules, affecting their dynamics and structure.
- This study uses molecular dynamics simulations to analyze how confinement and the presence of cosolutes like urea influence the collapse equilibria of three different model polymers.
- The findings reveal that confinement usually promotes polymer collapse, but the effects of urea vary: it weakens collapses in hydrophobic polymers while enhancing collapses in hydrophilic ones, leading to complex interactions that impact the stability of biomolecules in cells.